Home > Compound List > Compound details
204571-13-1 molecular structure
click picture or here to close

copper(15N)carbonitrile

ChemBase ID: 151378
Molecular Formular: CCuN
Molecular Mass: 90.5568089
Monoisotopic Mass: 89.9297064
SMILES and InChIs

SMILES:
C(#[15N])[Cu]
Canonical SMILES:
[Cu]C#[15N]
InChI:
InChI=1S/CN.Cu/c1-2;/i2+1;
InChIKey:
DULSAGLWMRMKCQ-CGOMOMTCSA-N

Cite this record

CBID:151378 http://www.chembase.cn/molecule-151378.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(15N)carbonitrile
IUPAC Traditional name
copper(15N)carbonitrile
Synonyms
Copper(I) cyanide-15N
氰化铜(I)-15N
CAS Number
204571-13-1
MDL Number
MFCD00190519
PubChem SID
162245532
24866516
PubChem CID
16212737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
423645 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212737 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0461  LogD (pH = 7.4) 0.0461 
Log P 0.0461  Molar Refractivity 6.6556 cm3
Polarizability 5.5687637 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
454 °C(lit.) expand Show data source
Density
2.920 g/mL at 25 °C expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1587 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28-32-50/53 expand Show data source
Safety Statements
7-28-29-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 1587 6.1/PG 2 expand Show data source
Supplemental Hazard Statements
Contact with acids liberates very toxic gas. expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Mol. Weight
mol wt 90.53 by atom % calculation expand Show data source
Linear Formula
CuC15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 423645 external link
Packaging
1 g in glass bottle
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle